2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate

C11H25N3O2 — CID 155417435

IUPAC2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
SMILESCNCCCCCCNC(=O)OCCNC
InChIInChI=1S/C11H25N3O2/c1-12-7-5-3-4-6-8-14-11(15)16-10-9-13-2/h12-13H,3-10H2,1-2H3,(H,14,15)
InChIKeyNXXAQWSQQACDKC-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.71
Rot. Bonds10

About 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate

2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate (PubChem CID 155417435) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate.

Molecular Properties

Compound Name2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
PubChem CID155417435
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
SMILESCNCCCCCCNC(=O)OCCNC
InChIInChI=1S/C11H25N3O2/c1-12-7-5-3-4-6-8-14-11(15)16-10-9-13-2/h12-13H,3-10H2,1-2H3,(H,14,15)
InChIKeyNXXAQWSQQACDKC-UHFFFAOYSA-N
XLogP0.71
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
prop-2-ynyl N-[6-(methylamino)hexyl]carbamate
CID 145294599
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate?
The IUPAC name of 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate (CID 155417435) is 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate.
What is the SMILES notation for 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate?
The canonical SMILES for 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate is CNCCCCCCNC(=O)OCCNC.
What is the InChIKey of 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate?
The InChIKey is NXXAQWSQQACDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-12-7-5-3-4-6-8-14-11(15)16-10-9-13-2/h12-13H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate?
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate has a molecular weight of 231.34 g/mol, XLogP of 0.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate is sourced from PubChem (CID 155417435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).